SCHEMBL2040097

SCHEMBL2040097

O=[N+]([O-])c1ccc(OP(=O)(Oc2ccc([N+](=O)[O-])cc2)OP(=O)(Oc2ccc([N+](=O)[O-])cc2)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.67
CA2 P00918 3/20 0.67
ACHE P22303 2/20 0.67
BCHE P06276 1/20 0.67
CES2 O00748 1/20 0.67
CES1 P23141 1/20 0.67
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 3/20 0.56
MAPK1 P28482 3/20 0.56
CYP3A4 P08684 3/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
THRB P10828 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 2/20 0.51
HSPB1 P04792 1/20 0.48
CA9 Q16790 1/20 0.47
APP P05067 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL35319 0.92 CA1 (0.71) CA1CA2ACHEBCHECES2
SCHEMBL28336799 0.89 CA1 (0.74) CA1CA2ACHEBCHECES2
Dimethyl 4-Nitrophenyl Phosphate SCHEMBL901276 0.85 CA1 (0.68) CA1CA2ACHEBCHECES2
SCHEMBL1763157 0.85 CA1 (0.63) CA1CA2ACHEBCHECES2
SCHEMBL10410659 0.85 CA1 (0.63) CA1CA2ACHEBCHECES2
SCHEMBL959287 0.85 CA1 (0.63) CA1CA2ACHEBCHECES2
SCHEMBL10411255 0.85 CA1 (0.68) CA1CA2ACHEBCHECES2
P-Nitrophenylphosphate SCHEMBL168768 0.82 CA1 (0.69) CA1CA2ACHEBCHECES2
Paraoxon SCHEMBL21114409 0.80 CA1 (1.00) CA1CA2ACHEBCHECES2
SCHEMBL6259754 0.80 CA1 (0.94) CA1CA2ACHEBCHECES2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896714-B2 Method of detecting phytase activity or protease activity DUPONT NUTRITION BIOSCIENCES APS (DK) 2018-02-20 US disclosed
EP-2516670-B1 Method DUPONT NUTRITION BIOSCI APS (DK) 2016-08-24 EP disclosed
EP-2516670-A1 METHOD DuPont Nutrition Biosciences ApS (DK) 2012-10-31 EP disclosed
US-20120264153-A1 METHOD OF DETECTING PHYTASE ACTIVITY OR PROTEASE ACTIVITY DANISCO A/S (DK) 2012-10-18 US disclosed
WO-2011077342-A1 METHOD DANISCO A/S (DK) 2011-06-30 WO disclosed
EP-1546354-B1 ANALYTE DETECTION GE HEALTHCARE BIO SCIENCES (US) 2010-05-05 EP disclosed
EP-1421213-B1 LABELED NUCLEOSIDE POLYPHOSPHATES GE HEALTHCARE BIO SCIENCES (US) 2010-02-17 EP disclosed
EP-1427852-B1 SINGLE NUCLEOTIDE AMPLIFICATION AND DETECTION BY POLYMERASE GE HEALTHCARE BIO SCIENCES (US) 2010-02-17 EP disclosed
US-7560254-B2 Allele specific primer extension GE HEALTHCARE BIO-SCIENCES CORP. (US) 2009-07-14 US disclosed
EP-1546354-A4 ANALYTE DETECTION GE HEALTHCARE BIO SCIENCES (US) 2007-08-01 EP disclosed
US-20030077610-A1 Terminal-phosphate-labeled nucleotides and methods of use GLOBAL LIFE SCIENCES SOLUTIONS USA LLC 2003-04-24 US disclosed
WO-2003020984-A2 TERMINAL-PHOSPHATE-LABELED NUCLEOTIDES AND METHODS OF USE AMERSHAM BIOSCIENCES CORP (US) 2003-03-13 WO disclosed
EP-0852233-A1 CYCLOSPORIN PHOSPHATE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1998-07-08 EP disclosed
US-5563129-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-08 US disclosed
US-5534639-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-09 US disclosed
US-5436359-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-07-25 US disclosed
EP-0560568-A2 Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-15 EP disclosed
US-5189057-A Preventing and treating thrombosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-23 US disclosed
EP-0467691-A1 Saccharoascorbic acid derivatives and their use Takeda Chemical Industries, Ltd. (JP) 1992-01-22 EP disclosed
US-3974188-A PHOSPHATE THE LION DENTIFRICE CO., LTD. (JA) 1976-08-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030077610-A1 Terminal-phosphate-labeled nucleotides and methods of use RNGTT, DNTT, PNP CA1 3131/4885CA2 2432/4885ACHE 1263/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.